SCHEMBL3702906

SCHEMBL3702906

COC(=O)c1ccc(N=C=O)nn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.41
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NNMT P40261 1/20 0.35
NOTUM Q6P988 1/20 0.33
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
AOC3 Q16853 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
PTGER4 P35408 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1456298 0.80 MAPK1 (0.57) MAPK1KDM4EL3MBTL1NNMTNOTUM
SCHEMBL29442775 0.80 MAPK1 (0.57) MAPK1KDM4EL3MBTL1NNMTNOTUM
SCHEMBL18979849 0.72 KDM4E (0.56) MAPK1KDM4EL3MBTL1NNMTTSHR
SCHEMBL14966683 0.72 MAPK1 (0.50) MAPK1KDM4EL3MBTL1NNMTNOTUM
SCHEMBL31058092 0.72 MAPK1 (0.50) MAPK1KDM4EL3MBTL1NNMTNOTUM
SCHEMBL24890662 0.72 MAPK1 (0.56) MAPK1KDM4EL3MBTL1TSHRKMT2A
SCHEMBL3970256 0.72 MAPK1 (0.56) MAPK1KDM4EL3MBTL1TSHRMEN1
SCHEMBL11886132 0.71 MAPK1 (0.48) MAPK1KDM4EL3MBTL1NNMTNOTUM
SCHEMBL31226268 0.71 MAPK1 (0.48) MAPK1KDM4EL3MBTL1NNMTNOTUM
SCHEMBL1544504 0.71 NNMT (0.66) MAPK1KDM4EL3MBTL1NNMTNOTUM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 US disclosed
EP-2776393-B1 NAMPT INHIBITORS ABBVIE INC (US) 2017-12-20 EP disclosed
US-20170253562-A1 Nampt Inhibitors ABBVIE INC (US) 2017-09-07 US disclosed
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US disclosed
US-20160031813-A1 Nampt Inhibitors ABBVIE INC. 2016-02-04 US disclosed
US-20160031880-A1 Nampt and Rock Inhibitors ABBVIE INC. (US) 2016-02-04 US disclosed
EP-2776393-A1 NAMPT INHIBITORS Abbvie Inc. (US) 2014-09-17 EP disclosed
EP-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 EP disclosed
WO-2013067710-A1 NAMPT INHIBITORS ABBOTT LABORATORIES (US) 2013-05-16 WO disclosed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10093624-B2 NAMPT and ROCK inhibitors NAMPT, NNMT, NADK MAPK1 1037/4885KDM4E 2048/4885L3MBTL1 3384/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 MAPK1 1558/4885KDM4E 3173/4885L3MBTL1 3011/4885
US-20170253562-A1 Nampt Inhibitors NAMPT, NNMT, NAPRT MAPK1 3544/4885KDM4E 3407/4885L3MBTL1 1344/4885
US-20160031813-A1 Nampt Inhibitors NAMPT, NNMT, NAPRT MAPK1 3544/4885KDM4E 3407/4885L3MBTL1 1344/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 MAPK1 1558/4885KDM4E 3173/4885L3MBTL1 3011/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.